N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide

C17H18N2O3S2 — CID 24600021

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)sc1C
InChIInChI=1S/C17H18N2O3S2/c1-5-10-6-15(23-9(10)2)16(20)19-17-18-11-7-12(21-3)13(22-4)8-14(11)24-17/h6-8H,5H2,1-4H3,(H,18,19,20)
InChIKeyZBUJUKLNWLWQHJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.50
Rot. Bonds5

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 24600021) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID24600021
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)sc1C
InChIInChI=1S/C17H18N2O3S2/c1-5-10-6-15(23-9(10)2)16(20)19-17-18-11-7-12(21-3)13(22-4)8-14(11)24-17/h6-8H,5H2,1-4H3,(H,18,19,20)
InChIKeyZBUJUKLNWLWQHJ-UHFFFAOYSA-N
XLogP4.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 24564369
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7244543
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43980532
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7295315
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43980545
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838242
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
CID 2452584
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7543023
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide (CID 24600021) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)sc1C.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is ZBUJUKLNWLWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-5-10-6-15(23-9(10)2)16(20)19-17-18-11-7-12(21-3)13(22-4)8-14(11)24-17/h6-8H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24600021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).